N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine

C16H25FN2O — CID 83076160

IUPACN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCOc1cc(C(C)NC(C)CN2CCCC2)ccc1F
InChIInChI=1S/C16H25FN2O/c1-12(11-19-8-4-5-9-19)18-13(2)14-6-7-15(17)16(10-14)20-3/h6-7,10,12-13,18H,4-5,8-9,11H2,1-3H3
InChIKeyHBXBPJNWZICDBV-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.97
Rot. Bonds6

About N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine

N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 83076160) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID83076160
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCOc1cc(C(C)NC(C)CN2CCCC2)ccc1F
InChIInChI=1S/C16H25FN2O/c1-12(11-19-8-4-5-9-19)18-13(2)14-6-7-15(17)16(10-14)20-3/h6-7,10,12-13,18H,4-5,8-9,11H2,1-3H3
InChIKeyHBXBPJNWZICDBV-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471655
1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine
CID 86809048
N-[(4-fluoro-3-methoxyphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 115765572
N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749138
3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide
CID 115879477
N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675786
(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83059190
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749122
1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60931344
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]hex-1-yn-3-amine
CID 106226821
1-(4-fluoro-3-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 82993850
(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 94264435

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine (CID 83076160) is N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine is COc1cc(C(C)NC(C)CN2CCCC2)ccc1F.
What is the InChIKey of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is HBXBPJNWZICDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(11-19-8-4-5-9-19)18-13(2)14-6-7-15(17)16(10-14)20-3/h6-7,10,12-13,18H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 280.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 83076160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).